Topology and parameters for small organic molecules compatible with the CHARMM all atoms force
field, for use with CHARMM and GROMACS

SwissParam is a
webserver that provides topology and parameters for small organic molecules.
These parameters are intended for drug design type calculations, such as docking, minimizations, rapid
binding energy estimation (LIECE), etc.

Key features

Data derived from the Merck Molecular ForceField (MMFF), but in a functional form that is compatible
with the CHARMM force field

Output files can be used with CHARMM or GROMACS

Only the harmonic part of the bond, angle and improper terms are retained

Van der Waals parameters are taken from the closest atom type in CHARMM22

Generated topologies and parameters are used by the docking software EADock2 and EADock DSS to
describe the small molecules to be docked

Automatically used by SwissDock, a web server for docking
small molecules to proteins

Rapid binding free energy estimation using SwissParam for ligands and CHARMM22/27 for proteins

Molecular dynamics simulation of a protein with a small-molecule ligand

Licensing

SwissParam
is developed and copyrighted by SIB Swiss Institute of Bioinformatics and its
exclusive commercial representative GeneBio.
Access is free for non-commercial use. Access by commercial entities is subject to the licensing conditions outlined in the GeneBio License
Agreement (PDF).